Crystallography Open Database

Information card for entry 1563294

Preview

Coordinates	1563294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H4 Cl2 N2 O2
Calculated formula	C8 H4 Cl2 N2 O2
SMILES	c1c2c(cc(c1Cl)Cl)c(=O)[nH]nc2O
Title of publication	New 4,5-dichlorophthalhydrazidate-bridged chained coordination polymers
Authors of publication	Jin, Juan; Wu, Di; Jia, Ming-Jun; Peng, Yu; Yu, Jie-Hui; Wang, Yu-Chang; Xu, Ji-Qing
Journal of publication	Journal of Solid State Chemistry
Year of publication	2011
Journal volume	184
Journal issue	3
Pages of publication	667 - 674
a	7.1815 ± 0.0014 Å
b	9.0468 ± 0.0018 Å
c	13.524 ± 0.003 Å
α	90°
β	99.67 ± 0.03°
γ	90°
Cell volume	866.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.08
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1731
Weighted residual factors for all reflections included in the refinement	0.1834
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1563294.html